Assistant Professor School of Sciences

Using density-function-theory-based methods, we study surfaces, interfaces and low-dimensional systems

Personal Profile

Brief Introduction
Using density-function-theory-based methods, we study surfaces, interfaces and low-dimensional systems

Research Interests
Based on state-of-the-art density functional theory in combination with other methods, we study: surfaces, interfaces, molecular electronics and spintronics; 2D materials and their device performance, their applications in catalysis & energy storage; surface growth, molecules self-assembly on surfaces

 

Professional Experience

◆ Dec 2012 to now, Assistant Professor, Department of Physics, Southern University of Science and Technology

◆ Jun 2012 to Dec 2012, Postdoctoral Fellow, Hong Kong Baptist University

◆ Aug 2007 to Jun 2012, Research Fellow, City University of Hong Kong

◆ Sep 2010 to Dec 2010, Guest Scientist, University of Bremen, Germany

 

Educational Background

◆ 2007, PhD, Institute of Solid State Physics, Chinese Academy of Sciences

◆ 2002, B. Sc, Department of Physics, Hebei Normal University

 

Honors & Awards

Research Awards (Youth) of SUSTech, 2016
Recipient of the Shenzhen Peacock-plan Award, 2013

 

Selected Publications

1)Giant magnetic anisotropy of heavy p-elements on high-symmetry substrates: a new paradigm for supported nanostructures, New J. Phys. 2018, Accepted (arXiv:1612.08679)

2)Electronic, Magnetic, Catalytic, and Electrochemical properties of Two-Dimensional Janus Transition Metal Chalcogenides, J. Mater. Chem. A, 2018, Accepted (DOI: 10.1039/C8TA01202D)

3)Preserving half-metallic surface states in CrO$_2$: Insights into surface reconstruction rules, Phys. Rev. B, Accepted, 2018 (https://journals.aps.org/prb/accepted/5f07bYa9Yae14262d06184e459c3231fdf0d73965)

4)Exploring new two-dimensional monolayers: pentagonal transitional metal borides/carbides (penta-TMB/Cs), J. Mater. Chem. A, 2018, Accepted (DOI: 10.1039/C8TA00635K)

5)Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals’ spin-split and large induced magnetic moment, J. Chem. Phys. 148, 114704 (2018)

6)Atomistic insights into FeF3 nanosheet: An ultrahigh-rate and long-life cathode material for Li-ion batteries, ACS Appl. Mater. Interfaces 10, 3142 (2018)

7)Class of diatomic ferroelectrics with multifunctional properties: IV-VI compounds in the distorted NiAs-type structure, Phys. Rev. B 96, 245136 (2017)

8)N-functionalized MXenes: Ultrahigh carrier mobility and multifunctional properties, PhysChemChemPhys, 19, 28710 (2017)

9)Electronic, Magnetic and Catalytic Properties of Thermodynamically Stable Two-Dimensional Transition Metal Phosphides; Chem. Mater. 29, 8892 (2017)

10)A new insight for Ohmic contacts to MoS2: by tuning MoS2 affinity energies but not metal work-functions; PhysChemChemPhys 19, 26151 (2017)

11)Robust and Pristine Topological Dirac Semimetal Phase in Pressured Two-Dimensional Black Phosphorus; J. Phys. Chem. C 121, 20931 (2017)

12)Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Molecule-Induced Surface Reconstruction; J. Am. Chem. Soc. 138, 4029 (2016)

13)Lithium Intercalation in Graphene/MoS2 Composites: First-Principles Insights; J. Phys. Chem. C, 119, 25860 (2015)

14)Stability of Two-Dimensional Iron-Carbides Suspended across Graphene Pores: First-principles Particle Swarm Optimization; J. Phys. Chem. C, 119, 22954 (2015)

15)Molecular Precursors-Induced Surface Reconstruction at Graphene/Pt (111) Interfaces; J. Phys. Chem. C, 119, 22526 (2015)

16)Engineering Magnetic Hybridization at Organic−Ferromagnetic Interfaces by C60 Adsorption Induced Fe (001) Surface Reconstruction; J. Phys. Chem. C 119, 10532 (2015)

17)Electron transport enhanced by electrode surface reconstruction: A case study of C60-based molecular junctions; RSC Adv. 4, 44718 (2014)

18)Cooperative modulation of electronic structures of aromatic molecules coupled to multiple metal contacts, Phys. Rev. Lett. 110, 046802(2013)

Research


Publications Read More

Lab members Read More

Join us

Contact Us

Contact Address

Room 226, Research Building 2, No. 1088, Xueyuan Rd., Nanshan District, Shenzhen, Guangdong,China 518055

Office Phone

0755-88018206

Email

shixq@sustc.edu.cn

Copyright © 2018 All Rights Reserved.